Compound Detail
CHEMBL1761502
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Basic Information
| ChEMBL ID | CHEMBL1761502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDOYGZKPHGICFD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
270.7
MW (Da)
3.59
ALogP
1
HBA
2
HBD
58.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 5.2 | 5.2 | 6309.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta | IC50 | = | 6309.57 | nM | 5.2 | Inhibition of IKK-beta | 21429745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21429745 | 10.1016/j.bmcl.2011.02.107 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 21429745 | 10.1016/j.bmcl.2011.02.107 | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine